3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine

C30H57N3 — CID 135179021

IUPAC3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine
SMILESCN(CCC(C)(C)C1C[C@@]2(C)CC2N1C(C)(C)C)C[C@@]12CC(C(C)(C)C)N(C(C)(C)C)C1C2
InChIInChI=1S/C30H57N3/c1-25(2,3)21-18-30(19-24(30)32(21)26(4,5)6)20-31(13)15-14-28(10,11)22-16-29(12)17-23(29)33(22)27(7,8)9/h21-24H,14-20H2,1-13H3/t21?,22?,23?,24?,29-,30-/m0/s1
InChIKeyLQMAHJYTZFCSCV-PDYHMPORSA-N
MW459.81 g/mol
LogP6.66
Rot. Bonds6

About 3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine

3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine (PubChem CID 135179021) has the molecular formula C30H57N3 and a molecular weight of 459.81 g/mol. Its IUPAC name is 3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine
PubChem CID135179021
Molecular FormulaC30H57N3
Molecular Weight459.81 g/mol
Exact Mass459.46
IUPAC Name3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine
SMILESCN(CCC(C)(C)C1C[C@@]2(C)CC2N1C(C)(C)C)C[C@@]12CC(C(C)(C)C)N(C(C)(C)C)C1C2
InChIInChI=1S/C30H57N3/c1-25(2,3)21-18-30(19-24(30)32(21)26(4,5)6)20-31(13)15-14-28(10,11)22-16-29(12)17-23(29)33(22)27(7,8)9/h21-24H,14-20H2,1-13H3/t21?,22?,23?,24?,29-,30-/m0/s1
InChIKeyLQMAHJYTZFCSCV-PDYHMPORSA-N
XLogP6.66
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.81
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-Tert-butyl-3-[3-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-3-methylbutyl]-3-azabicyclo[3.1.0]hexane
CID 126539906
3-[6-(3-Azabicyclo[3.1.0]hexan-3-yl)-5-methylhexyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane
CID 126657812
3-[3-(3-Azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane
CID 126657819
3-[4-(3-Azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane
CID 126657940
6-(3,3-Dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane
CID 126657948
2-[5-(2-Tert-butylpyrrolidin-1-yl)-2,5-dimethylhexan-2-yl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 126658072
3-Tert-butyl-2-[5-(2-tert-butylpyrrolidin-1-yl)-2,5-dimethylhexan-2-yl]-3-azabicyclo[3.1.0]hexane
CID 126658247
2,3-Ditert-butyl-6-[2-(1-tert-butylpyrrolidin-2-yl)-2-methylpropyl]-2-azabicyclo[3.1.0]hexane
CID 126704182
1-Tert-butyl-3-cyclobutyl-5-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]-3-azabicyclo[3.1.0]hexane
CID 129145304
3-[4-(3-Azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane
CID 129146196
(5R)-3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane
CID 129146203
3-[3-(3-Azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane
CID 129146211

Frequently Asked Questions

What is the IUPAC name of 3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine?
The IUPAC name of 3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine (CID 135179021) is 3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine?
The canonical SMILES for 3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine is CN(CCC(C)(C)C1C[C@@]2(C)CC2N1C(C)(C)C)C[C@@]12CC(C(C)(C)C)N(C(C)(C)C)C1C2.
What is the InChIKey of 3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine?
The InChIKey is LQMAHJYTZFCSCV-PDYHMPORSA-N. The full InChI is InChI=1S/C30H57N3/c1-25(2,3)21-18-30(19-24(30)32(21)26(4,5)6)20-31(13)15-14-28(10,11)22-16-29(12)17-23(29)33(22)27(7,8)9/h21-24H,14-20H2,1-13H3/t21?,22?,23?,24?,29-,30-/m0/s1.
What are the key properties of 3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine?
3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine has a molecular weight of 459.81 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 135179021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).